[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-[2-[[(2R,3S,4R,5R,6S)-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5,6-tris(oxidanyl)oxan-2-yl]methoxy]ethylamino]-5,11-dimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate

Systemtic Name: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-[2-[[(2R,3S,4R,5R,6S)-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5,6-tris(oxidanyl)oxan-2-yl]methoxy]ethylamino]-5,11-dimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate Openeye Name: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-[2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]ethylamino]-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate CAS Name: carbamic acid [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-[2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]methoxy]ethylamino]-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester IUPAC Name: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-[2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]ethylamino]-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate Traditional Name: carbamic acid [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-hydroxy-16,20,22-triketo-5,11-dimethoxy-3,7,9,15-tetramethyl-21-[2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]ethylamino]-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester Formula: C42H63N3O19 MolecularWeight: 913.95832

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCOCC3C(C(C(C(O3)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)C)OC)OC(=O)N)C)C)O)OC

Isomeric SMILES

C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCOC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)/C)OC)OC(=O)N)\C)C)O)OC

InChI

InChI=1S/C42H63N3O19/c1-18-12-22-29(44-10-11-60-17-28-38(34(52)35(53)40(56)61-28)63-41-36(54)33(51)32(50)27(16-46)62-41)24(47)15-23(31(22)49)45-39(55)19(2)8-7-9-25(58-5)37(64-42(43)57)21(4)14-20(3)30(48)26(13-18)59-6/h7-9,14-15,18,20,25-28,30,32-38,40-41,44,46,48,50-54,56H,10-13,16-17H2,1-6H3,(H2,43,57)(H,45,55)/b9-7-,19-8+,21-14+/t18-,20+,25+,26+,27-,28-,30-,32+,33+,34-,35-,36-,37+,38-,40+,41+/m1/s1